N'-pent-1-en-2-yl-N-propylhexane-1,6-diamine

C14H30N2 — CID 134334707

IUPACN'-pent-1-en-2-yl-N-propylhexane-1,6-diamine
SMILESC=C(CCC)NCCCCCCNCCC
InChIInChI=1S/C14H30N2/c1-4-10-14(3)16-13-9-7-6-8-12-15-11-5-2/h15-16H,3-13H2,1-2H3
InChIKeyMUDBFUAFKWBECP-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.45
Rot. Bonds12

About N'-pent-1-en-2-yl-N-propylhexane-1,6-diamine

N'-pent-1-en-2-yl-N-propylhexane-1,6-diamine (PubChem CID 134334707) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N'-pent-1-en-2-yl-N-propylhexane-1,6-diamine.

Molecular Properties

Compound NameN'-pent-1-en-2-yl-N-propylhexane-1,6-diamine
PubChem CID134334707
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN'-pent-1-en-2-yl-N-propylhexane-1,6-diamine
SMILESC=C(CCC)NCCCCCCNCCC
InChIInChI=1S/C14H30N2/c1-4-10-14(3)16-13-9-7-6-8-12-15-11-5-2/h15-16H,3-13H2,1-2H3
InChIKeyMUDBFUAFKWBECP-UHFFFAOYSA-N
XLogP3.45
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-hexyloct-1-en-2-amine
CID 169110016
8-methyl-N-propylnon-8-en-1-amine
CID 138599525
2-methyl-N-[6-(propylamino)hexyl]prop-2-enamide
CID 18464100
N,N'-dipropylicosane-1,20-diamine;dihydrobromide
CID 173263708
5-methylidene-N-propylheptan-1-amine
CID 66039759
N-propylhexadecan-1-amine
CID 18792182
N-butylhept-1-en-2-amine
CID 170620308
N-[5-[5-(propylamino)pentylamino]pentyl]propanamide
CID 58435562
N-(5-oxooctyl)-7-(propylamino)heptanamide
CID 59091179
8-methylidene-N-octyloctadecan-1-amine
CID 153397444
3-N-heptadecyl-1-N,1-N-dipropylbut-3-ene-1,3-diamine
CID 167073154
azane;N-propyltetradecan-1-amine
CID 18792183

Frequently Asked Questions

What is the IUPAC name of N'-pent-1-en-2-yl-N-propylhexane-1,6-diamine?
The IUPAC name of N'-pent-1-en-2-yl-N-propylhexane-1,6-diamine (CID 134334707) is N'-pent-1-en-2-yl-N-propylhexane-1,6-diamine.
What is the SMILES notation for N'-pent-1-en-2-yl-N-propylhexane-1,6-diamine?
The canonical SMILES for N'-pent-1-en-2-yl-N-propylhexane-1,6-diamine is C=C(CCC)NCCCCCCNCCC.
What is the InChIKey of N'-pent-1-en-2-yl-N-propylhexane-1,6-diamine?
The InChIKey is MUDBFUAFKWBECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-4-10-14(3)16-13-9-7-6-8-12-15-11-5-2/h15-16H,3-13H2,1-2H3.
What are the key properties of N'-pent-1-en-2-yl-N-propylhexane-1,6-diamine?
N'-pent-1-en-2-yl-N-propylhexane-1,6-diamine has a molecular weight of 226.41 g/mol, XLogP of 3.45, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-pent-1-en-2-yl-N-propylhexane-1,6-diamine is sourced from PubChem (CID 134334707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).